SCHEMBL31539995

SCHEMBL31539995

C=CC(=O)OCO.C=CC(=O)OCO

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 11/20 0.64
ALDH1A1 P00352 8/20 0.56
TP53 P04637 3/20 0.56
HIF1A Q16665 3/20 0.56
CYP3A4 P08684 2/20 0.56
HSD17B10 Q99714 1/20 0.56
MAPK1 P28482 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HPGD P15428 1/20 0.50
THRB P10828 3/20 0.41
LMNA P02545 1/20 0.35
FGFR4 P22455 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
MAPT P10636 1/20 0.30
CACNA1B Q00975 1/20 0.30
APBA1 Q02410 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL183849 1.00
SCHEMBL29366134 1.00 TSHR (0.64) TSHRALDH1A1TP53HIF1ACYP3A4
Hydrochloric Acid SCHEMBL28018811 0.97
SCHEMBL30861276 0.97
Water SCHEMBL9838309 0.97
SCHEMBL29042736 0.97
SCHEMBL28709737 0.97
Ammonia Solution, Strong SCHEMBL28046213 0.97
Ethane SCHEMBL29143719 0.95
Acrylic Acid SCHEMBL4855025 0.92 TSHR (0.56) TSHRALDH1A1TP53HIF1ACYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12281231-B2 Ink, ink set, ink container, recording method, and recording apparatus RICOH COMPANY, LTD. (JP) 2025-04-22 US disclosed